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Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
Optimization of the Ugi reaction using parallel synthesis and automated liquid handling
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Optimization of the Ugi reaction using parallel synthesis and automated liquid handling

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This is a Mettler-Toledo Webinar scheduled for September 23, 2008.

This is a Mettler-Toledo Webinar scheduled for September 23, 2008.

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  • 1. Optimization of the Ugi reaction using parallel synthesis and automated liquid handling Jean-Claude Bradley Sept 23, 2008 Mettler-Toledo Webinar E-Learning Coordinator College of Arts and Sciences Associate Professor of Chemistry Drexel University
  • 2. Open and Closed Science Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures Notes public Assigned problems public Archived Lectures Public and free online textbooks RESEARCH TEACHING
  • 3. Motivations for ONS <ul><li>Faster Science </li></ul><ul><li>Better Science </li></ul>
  • 4. UsefulChem Project: Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.
  • 5. BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant ChemSpider CDD FriendFeed Nature Precedings JoVE
  • 6. Where’s the Beef?
  • 7. Link to Lab Notebook Page in Wiki
  • 8. Link to Molecules
  • 9. Link to Docking Procedure (Rajarshi Guha)
  • 10. Link to Docking Results: Lists of SMILES in GoogleDocs (Rajarshi Guha)
  • 11. Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)
  • 12. Conclusion is Fully Supported
  • 13. Comparing Experiments Ugi Master Table
  • 14. <ul><li>Concentration (0.4, 0.2, 0.07 M) </li></ul><ul><li>Solvent (methanol, ethanol, acetonitrile, THF) </li></ul><ul><li>Excess of some reagents (1.2 eq.) </li></ul>Reaction to Optimize
  • 15. Mettler-Toledo MiniBlock System
  • 16. Mettler-Toledo MiniMapper
  • 17. XML reports from MiniMapper robot
  • 18. GoogleDoc to program and report
  • 19. Paper written on Wiki
  • 20. References to papers, blog posts, lab notebook pages, raw data
  • 21. Paper on Journal of Visualized Experiments (JoVE)
  • 22. Pre-print on Nature Precedings
  • 23. Best Yield: 66% 0.4 M methanol 1.2 eq imine But… what are the trends?
  • 24. At 0.2 Molar
  • 25. At 0.2 Molar – complex solvent and reagent excess effects
  • 26. Methanol 0.4M xs of imine best
  • 27. Conclusions <ul><li>Parallel synthesis can be useful for finding a robust area in the reaction space </li></ul><ul><li>Use methanol at 0.4 M – below 0.2 M precipitous decline in yield </li></ul><ul><li>Effect of excess of some reagents not clear </li></ul><ul><li>Open Notebook Science can be used effectively to communicate details from papers </li></ul>
  • 28. Acknowledgements <ul><li>Khalid Mirza (Drexel) </li></ul><ul><li>Kevin Owens (Drexel) </li></ul><ul><li>Tom Osborne (Mettler-Toledo) </li></ul><ul><li>Antony Williams (ChemSpider) </li></ul><ul><li>Andrew Lang (Oral Roberts U.) </li></ul>

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